Concept of embedded dipoles as a versatile tool for surface engineering

E Zojer, A Terfort, M Zharnikov - Accounts of Chemical Research, 2022 - ACS Publications
Conspectus Controlling the physical and chemical properties of surfaces and interfaces is of
fundamental relevance in various areas of physical chemistry and a key issue of modern …

Near-edge X-ray absorption fine structure spectroscopy in studies of self-assembled monomolecular films

M Zharnikov - Journal of Electron Spectroscopy and Related …, 2023 - Elsevier
This article reviews the application of near-edge X-ray absorption fine structure (NEXAFS)
spectroscopy to characterization of self-assembled monolayers (SAMs) which are an …

Avoiding the Center‐Symmetry Trap: Programmed Assembly of Dipolar Precursors into Porous, Crystalline Molecular Thin Films

A Nefedov, R Haldar, Z Xu, H Kühner… - Advanced …, 2021 - Wiley Online Library
Liquid‐phase, quasi‐epitaxial growth is used to stack asymmetric, dipolar organic
compounds on inorganic substrates, permitting porous, crystalline molecular materials that …

Self-assembled monolayers with embedded dipole moments for work function engineering of oxide substrates

A Asyuda, M Gärtner, X Wan, I Burkhart… - The Journal of …, 2020 - ACS Publications
Self-assembled monolayers (SAMs) are frequently used for work function (WF) engineering
of different materials. For this, typically dipolar groups are attached to the molecule terminus …

[HTML][HTML] Effect of anchoring groups on the electronic transport properties of biphenyl and phenyl-pyridine molecules

GR Berdiyorov, H Hamoudi - Journal of Materials Research and …, 2021 - Elsevier
Single-molecule quantum transport calculations are performed using nonequilibrium
Green's functional formalism for biphenyl and phenyl-pyridine molecules asymmetrically …

Electrostatically Designing Materials and Interfaces

E Zojer - Advanced Materials, 2024 - Wiley Online Library
Collective electrostatic effects arise from the superposition of electrostatic potentials of
periodically arranged (di) polar entities and are known to crucially impact the electronic …

Experimental determination of the curvature-induced intra-wall polarization of inorganic nanotubes

MC Pignié, S Patra, L Huart, AR Milosavljević… - Nanoscale, 2021 - pubs.rsc.org
Inspired by a natural nano-mineral known as imogolite, aluminosilicate inorganic nanotubes
are appealing systems for photocatalysis. Here, we studied two types of synthetic imogolites …

Electronic transport through molecules containing pyrimidine units: First-principles calculations

GR Berdiyorov, H Hamoudi - Journal of Computational Science, 2021 - Elsevier
Using density functional theory in combination with Green's functional formalism we study
the quantum transport through molecular junctions containing pyrimidine units characterized …

Conductance Switching in Liquid Crystal-Inspired Self-Assembled Monolayer Junctions

JM Dlugosch, H Seim, A Bora… - … Applied Materials & …, 2022 - ACS Publications
We present the prototype of a ferroelectric tunnel junction (FTJ), which is based on a self-
assembled monolayer (SAM) of small, functional molecules. These molecules have a …

How far the chemistry of self-assembled monolayers on gold surfaces affects their work function?

L Bossard-Giannesini, L Cardenas, H Cruguel… - Nanoscale, 2023 - pubs.rsc.org
Self-assembled monolayers composed of various long-chain aliphatic molecules and
different tail functional groups have been synthesized on the Au (111) surface and …